2-(2-ethoxyethyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]isoquinolin-1-one

Systemtic Name: 2-(2-ethoxyethyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]isoquinolin-1-one Openeye Name: 2-(2-ethoxyethyl)-5-[2-(4-methyl-1-piperidyl)-2-oxo-ethoxy]isoquinolin-1-one CAS Name: 2-(2-ethoxyethyl)-5-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-isoquinolinone IUPAC Name: 2-(2-ethoxyethyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]isoquinolin-1-one Traditional Name: 2-(2-ethoxyethyl)-5-[2-keto-2-(4-methylpiperidino)ethoxy]isocarbostyril Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)C

Isomeric SMILES

CCOCCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H28N2O4/c1-3-26-14-13-23-12-9-17-18(21(23)25)5-4-6-19(17)27-15-20(24)22-10-7-16(2)8-11-22/h4-6,9,12,16H,3,7-8,10-11,13-15H2,1-2H3